propan-2-yl 2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
propan-2-yl 2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | V021-2679 |
| Compound Name: | propan-2-yl 2-({[2-hydroxy-3-(2-methylphenoxy)propyl](propan-2-yl)amino}methyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(COc1ccccc1C)O)CC1NC(c2c(C)c(C(=O)OC(C)C)sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2482 |
| logD: | 4.2461 |
| logSw: | -4.4893 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.06 |
| InChI Key: | NIXWJCRWWQFROC-SFHVURJKSA-N |